SCHEMBL6167480

SCHEMBL6167480

O=C(O)c1ccc(Oc2ccc(O)cc2)cc1.O=C(OCc1ccccc1)c1ccccc1Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.59
NR4A1 P22736 1/20 0.59
NR4A3 Q92570 1/20 0.59
SRD5A2 P31213 1/20 0.55
PLA2G4B P0C869 1/20 0.53
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
HTT P42858 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5836722 0.89 HTT (0.57) NR4A2NR4A1NR4A3SRD5A2LMNA
SCHEMBL27462412 0.81 SMN1; SMN2 (0.66) LMNASLC6A2SLC6A3ALDH1A1TDP1
SCHEMBL1221359 0.81 NR4A2 (0.90) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL5836718 0.80 SLC6A2 (0.67) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL10930452 0.78 ALDH1A1 (0.58) SLC6A2SLC6A3ALDH1A1TDP1HTT
SCHEMBL4059143 0.77 NR4A2 (1.00) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL228477 0.77 NR4A2 (1.00) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL6830467 0.77 NR4A2 (1.00) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL709808 0.77 ALDH1A1 (0.54) LMNACYP1A2SLC6A2CYP2C19SLC6A3
SCHEMBL6565957 0.76 LMNA (0.69) LMNACYP1A2SLC6A2CYP2C19SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501515-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-02 EP disclosed
WO-2003090752-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-06 WO disclosed